[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methanoylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methanoylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C=O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C17H14N2O6/c1-11(25-17(22)13-7-5-12(10-20)6-8-13)16(21)18-14-3-2-4-15(9-14)19(23)24/h2-11H,1H3,(H,18,21)